{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.173913 0.112002 0.695839 ] [ 0.252978 0.868688 0.873789 ] [ 0.746882 0.625962 0.626125 ] [ 0.257673 0.370616 0.37629 ] [ 0.748971 0.12264 0.130537 ] [ 0.254984 0.618808 0.119866 ] [ 0.755866 0.23697 0.510842 ] [ 0.736073 0.006283 0.743666 ] [ 0.749428 0.50323 0.251577 ] [ 0.753727 0.744508 0.003673 ] [ 0.253946 0.482128 0.749056 ] [ 0.254629 0.997124 0.265555 ] [ 0.245519 0.760952 0.50103 ] [ 0.248213 0.250527 0.997846 ] [ 0.714716 0.854604 0.855631 ] [ 0.481215 0.620757 0.894768 ] [ 0.493036 0.888191 0.619833 ] [ 0.290295 0.643304 0.642189 ] [ 0.812617 0.137331 0.639701 ] [ 0.789846 0.637895 0.137359 ] [ 0.494124 0.113861 0.881228 ] [ 0.505047 0.386739 0.613276 ] [ 0.488316 0.878436 0.114573 ] [ 0.006 0.635093 0.871897 ] [ 0.487963 0.615157 0.377708 ] [ 0.006311 0.870304 0.63893 ] [ 0.222735 0.84529 0.345446 ] [ 0.221778 0.361026 0.862659 ] [ 0.714044 0.357783 0.352343 ] [ 0.483636 0.396578 0.11957 ] [ 0.998423 0.603299 0.399342 ] [ 0.498836 0.122117 0.383629 ] [ 0.00038 0.897102 0.101943 ] [ 0.002595 0.101406 0.89648 ] [ 0.000252 0.400618 0.59934 ] [ 0.291675 0.143305 0.141062 ] [ 0.000521 0.138965 0.361348 ] [ 0.00714 0.373204 0.136952 ] ] } "species" { "source-value" [ "Li" "La" "La" "La" "La" "La" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.50806275 "source-unit" "angstrom" } "b" { "source-value" 9.57214645 "source-unit" "angstrom" } "c" { "source-value" 9.60376052 "source-unit" "angstrom" } "alpha" { "source-value" 109.8617442 "source-unit" "degree" } "beta" { "source-value" 90.40928986 "source-unit" "degree" } "gamma" { "source-value" 90.07365287 "source-unit" "degree" } }